2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide

C13H21N3O3 — CID 60677139

IUPAC2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NC(C)CCc1ccco1
InChIInChI=1S/C13H21N3O3/c1-9(6-7-11-5-4-8-19-11)15-10(2)12(17)16-13(18)14-3/h4-5,8-10,15H,6-7H2,1-3H3,(H2,14,16,17,18)
InChIKeyGMHHLEWTFKQMRA-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.03
Rot. Bonds6

About 2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide

2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 60677139) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide
PubChem CID60677139
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NC(C)CCc1ccco1
InChIInChI=1S/C13H21N3O3/c1-9(6-7-11-5-4-8-19-11)15-10(2)12(17)16-13(18)14-3/h4-5,8-10,15H,6-7H2,1-3H3,(H2,14,16,17,18)
InChIKeyGMHHLEWTFKQMRA-UHFFFAOYSA-N
XLogP1.03
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 31297357
2-[4-(furan-2-yl)butan-2-ylamino]-N,4-dimethylpentanamide
CID 43750748
(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 8919781
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
CID 64669169
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide
CID 77030711
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
CID 80543903
N-(ethylcarbamoyl)-2-[2-(furan-2-yl)ethylamino]propanamide
CID 60638480

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide (CID 60677139) is 2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)NC(C)CCc1ccco1.
What is the InChIKey of 2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is GMHHLEWTFKQMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(6-7-11-5-4-8-19-11)15-10(2)12(17)16-13(18)14-3/h4-5,8-10,15H,6-7H2,1-3H3,(H2,14,16,17,18).
What are the key properties of 2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide?
2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 267.33 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 60677139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).